Materials Data on Gd3AuO6 by Materials Project
Gd3AuO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.59 Å. In the second Gd3+ site, Gd3+ is bonded to six O2- atoms to form distorted edge-sharing GdO6 octahedra. There are a spread of Gd–O bond distances ranging from 2.33–2.35 Å. Au3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Au–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Gd3+ and one Au3+ atom to form a mixture of distorted corner and edge-sharing OGd3Au trigonal pyramids. In the second O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra. In the third O2- site, O2- is bonded to three Gd3+ and one Au3+ atom to form OGd3Au tetrahedra that share corners with eight OGd3Au tetrahedra, corners with four equivalent OGd3Au trigonal pyramids, edges with two equivalent OGd4 tetrahedra, and edges with two equivalent OGd3Au trigonal pyramids.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1187200
- Report Number(s):
- mp-10559
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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